git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8205 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2012-06-01 17:13:46 +00:00
parent 2c77342ed3
commit 9377bfd64b
4 changed files with 23 additions and 15 deletions

View File

@ -40,6 +40,16 @@ using namespace LAMMPS_NS;
#define MAXLINE 1024
#define DELTA 4
#define GRIDSTART 0.1
#define GRIDDENSITY_FCUTOFF 5000
#define GRIDDENSITY_EXP 12000
#define GRIDDENSITY_GTETA 12000
#define GRIDDENSITY_BIJ 7500
// max number of interaction per atom for environment potential
#define leadingDimensionInteractionList 64
/* ---------------------------------------------------------------------- */
PairTersoffTable::PairTersoffTable(LAMMPS *lmp) : Pair(lmp)